7-[[5-(1-ethanimidoylpiperidin-4-yl)oxy-4-nitro-2-propan-2-yl-benzimidazol-1-yl]methyl]naphthalene-2-carboximidamide

Systemtic Name: 7-[[5-(1-ethanimidoylpiperidin-4-yl)oxy-4-nitro-2-propan-2-yl-benzimidazol-1-yl]methyl]naphthalene-2-carboximidamide Openeye Name: 7-[[5-[(1-ethanimidoyl-4-piperidyl)oxy]-2-isopropyl-4-nitro-benzimidazol-1-yl]methyl]naphthalene-2-carboxamidine CAS Name: 7-[[5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-4-nitro-2-propan-2-yl-1-benzimidazolyl]methyl]-2-naphthalenecarboximidamide IUPAC Name: 7-[[5-(1-ethanimidoylpiperidin-4-yl)oxy-4-nitro-2-propan-2-ylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide Traditional Name: 7-[[5-[(1-acetimidoyl-4-piperidyl)oxy]-2-isopropyl-4-nitro-benzimidazol-1-yl]methyl]-2-naphthamidine Formula: C29H33N7O3 MolecularWeight: 527.61742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=CC(=C2[N+](=O)[O-])OC5CCN(CC5)C(=N)C

Isomeric SMILES

CC(C)C1=NC2=C(N1CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C=CC(=C2[N+](=O)[O-])OC5CCN(CC5)C(=N)C

InChI

InChI=1S/C29H33N7O3/c1-17(2)29-33-26-24(35(29)16-19-4-5-20-6-7-21(28(31)32)15-22(20)14-19)8-9-25(27(26)36(37)38)39-23-10-12-34(13-11-23)18(3)30/h4-9,14-15,17,23,30H,10-13,16H2,1-3H3,(H3,31,32)